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CHEBI:196633 - Isomonospermoside

ChEBI IDCHEBI:196633
ChEBI NameIsomonospermoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C1CC(c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2)Oc2cc(O)ccc21
InChIInChI=1S/C21H22O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-5-9(1-4-12(16)24)14-7-13(25)11-3-2-10(23)6-15(11)29-14/h1-6,14,17-24,26-28H,7-8H2/t14?,17-,18-,19-,20-,21-/m1/s1
InChIKeyDYRDBDVHLCRXAE-GCDPEQLBSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomonospermoside (CHEBI:196633) is a flavonoids (CHEBI:72544)
Isomonospermoside (CHEBI:196633) is a glycoside (CHEBI:24400)
IUPAC Name 
7-hydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140066LIPID MAPS
24846244ChemSpider